5-butyl-2-oxo-N-phenyloxolane-3-carboxamide

C15H19NO3 — CID 4523609

IUPAC5-butyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C15H19NO3/c1-2-3-9-12-10-13(15(18)19-12)14(17)16-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,16,17)
InChIKeyWEDWZMJOSPGCJY-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.75
Rot. Bonds5

About 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide

5-butyl-2-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 4523609) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-oxo-N-phenyloxolane-3-carboxamide
PubChem CID4523609
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name5-butyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C15H19NO3/c1-2-3-9-12-10-13(15(18)19-12)14(17)16-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,16,17)
InChIKeyWEDWZMJOSPGCJY-UHFFFAOYSA-N
XLogP2.75
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide (CID 4523609) is 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide is CCCCC1CC(C(=O)Nc2ccccc2)C(=O)O1.
What is the InChIKey of 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is WEDWZMJOSPGCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-3-9-12-10-13(15(18)19-12)14(17)16-11-7-5-4-6-8-11/h4-8,12-13H,2-3,9-10H2,1H3,(H,16,17).
What are the key properties of 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide?
5-butyl-2-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 4523609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).